SCHEMBL10519620

SCHEMBL10519620

CC1CC(=O)NN=C1c1ccc2[nH]c(-n3ccnc3)nc2c1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 12/20 0.64
▸ PDE3A Q14432 12/20 0.64
▸ PDE4A P27815 2/20 0.64
▸ PDE4B Q07343 2/20 0.64
▸ PDE4C Q08493 2/20 0.64
▸ PDE4D Q08499 2/20 0.64
▸ PDE2A O00408 1/20 0.50
▸ ABCB11 O95342 1/20 0.47
▸ MAOA P21397 1/20 0.47
▸ ADORA2A P29274 1/20 0.47
▸ GPR119 Q8TDV5 6/20 0.45
▸ F10 P00742 1/20 0.45
▸ FBP1 P09467 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10519623 0.92 PDE3B (0.64) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL3440854 0.82 FBP1 (0.65) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10518825 0.82 PDE3B (0.47) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10521017 0.82 PDE3B (0.48) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10518942 0.82 PDE3B (0.50) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10517959 0.81 GPR119 (0.59) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10519085 0.81 GPR119 (0.61) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10518157 0.81 GPR119 (0.61) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10928326 0.80 PDE3B (0.47) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10518681 0.80 PDE3B (0.62) PDE3BPDE3APDE4APDE4BPDE4C

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0196005-B1 PYRIDAZINONES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dr. Karl Thomae GmbH (DE) 1989-12-20 — — EP disclosed
EP-0196005-A1 Pyridazinones, their preparation and pharmaceutical compositions containing them Dr. Karl Thomae GmbH (DE) 1986-10-01 — — EP disclosed
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